2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

C25H21ClN6O4 — CID 170944597

About 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide

2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (PubChem CID 170944597) has the molecular formula C25H21ClN6O4 and a molecular weight of 504.93 g/mol. Its IUPAC name is 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• PubChem CID: 170944597
• Molecular Formula: C25H21ClN6O4
• Molecular Weight: 504.93 g/mol
• Exact Mass: 504.13
• IUPAC Name: 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide
• SMILES: C[C@@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@H](c1ccccc1Cl)n1cc2ccccc2n1
• InChI: InChI=1S/C25H21ClN6O4/c1-14(23-29-20(22(33)25(35)31(23)2)24(34)28-16-11-27-36-13-16)21(17-8-4-5-9-18(17)26)32-12-15-7-3-6-10-19(15)30-32/h3-14,21,33H,1-2H3,(H,28,34)/t14-,21-/m1/s1
• InChIKey: YKZNPGBXVLRRAA-SPLOXXLWSA-N
• XLogP: 4.12
• TPSA: 128.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.93
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The IUPAC name of 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide (CID 170944597) is 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide.

What is the SMILES notation for 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The canonical SMILES for 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is C[C@@H](c1nc(C(=O)Nc2cnoc2)c(O)c(=O)n1C)[C@H](c1ccccc1Cl)n1cc2ccccc2n1.

What is the InChIKey of 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

The InChIKey is YKZNPGBXVLRRAA-SPLOXXLWSA-N. The full InChI is InChI=1S/C25H21ClN6O4/c1-14(23-29-20(22(33)25(35)31(23)2)24(34)28-16-11-27-36-13-16)21(17-8-4-5-9-18(17)26)32-12-15-7-3-6-10-19(15)30-32/h3-14,21,33H,1-2H3,(H,28,34)/t14-,21-/m1/s1.

What are the key properties of 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide?

2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide has a molecular weight of 504.93 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2R)-1-(2-chlorophenyl)-1-indazol-2-ylpropan-2-yl]-5-hydroxy-1-methyl-N-(1,2-oxazol-4-yl)-6-oxopyrimidine-4-carboxamide is sourced from PubChem (CID 170944597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).